Chemical identity

Eletriptan Related Compound 03

CAS 209682-64-4 · C16H22N2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13873
PubChem CID10131024
NameEletriptan Related Compound 03
CAS RN209682-64-4
Molecular formulaC16H22N2
Molecular weight242.36
IUPAC name1H-indole,5-ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]
InChIKeyXQBUOODGXPTQOQ-CQSZACIVSA-N

02Structure identifiers

2D structurePubChem CID 10131024
2D structure: Eletriptan Related Compound 03, CAS 209682-64-4
Structure of Eletriptan Related Compound 03 (CAS 209682-64-4). LazyChem record. Source identity: PubChem CID 10131024. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H22N2
InChIKeyXQBUOODGXPTQOQ-CQSZACIVSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCCC1=CC2=C(C=C1)NC=C2C[C@H]3CCCN3C
InChIInChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Eletriptan Related Compound 03, CAS 209682-64-4
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 209682-64-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 209682-64-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Eletriptan

View API and impurity family

Other names

  • 5-Ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole
  • Eletriptan Impurity
  • 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
  • Eletriptan impurity F
  • (R)-5-Ethyl-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
  • 1H-Indole, 5-ethyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-
  • UNII-68TX8Z5QGM

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources